Basic information
- Standard SMILES
Clc1ncnc2c1c(Br)nn2C1CCN(Cc2ccccc2)CC1- InChIKey
HJOMLGKVFCHOCJ-UHFFFAOYSA-N- Molecular formula
- C17H17BrClN5
- Average molar mass
- 406.7 g/mol
- Monoisotopic mass
- 405.03559
Names & identifiers
- Preferred name
- 1-(1-benzyl-4-piperidinyl)-3-bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 1-(1-benzylpiperidin-4-yl)-3-bromo-4-chloropyrazolo[5,4-d]pyrimidine
Names & synonyms
SCHEMBL5816791HJOMLGKVFCHOCJ-UHFFFAOYSA-N1-(1-benzyl-4-piperidinyl)-3-bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- PubChem CID
- 22347173
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
Related reactions
6 records
Compound notes
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